4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde

C9H19N3O — CID 45115661

IUPAC4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde
SMILESCN(C)CCN1CCN(C=O)CC1
InChIInChI=1S/C9H19N3O/c1-10(2)3-4-11-5-7-12(9-13)8-6-11/h9H,3-8H2,1-2H3
InChIKeyDDKUREMPQDNBOJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.68
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde

4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde (PubChem CID 45115661) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde
PubChem CID45115661
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde
SMILESCN(C)CCN1CCN(C=O)CC1
InChIInChI=1S/C9H19N3O/c1-10(2)3-4-11-5-7-12(9-13)8-6-11/h9H,3-8H2,1-2H3
InChIKeyDDKUREMPQDNBOJ-UHFFFAOYSA-N
XLogP-0.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde (CID 45115661) is 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde is CN(C)CCN1CCN(C=O)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde?
The InChIKey is DDKUREMPQDNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10(2)3-4-11-5-7-12(9-13)8-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde?
4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde has a molecular weight of 185.27 g/mol, XLogP of -0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 45115661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).